Basic information
- Standard SMILES
CCN=C(SC)N1CC2(C=N1)CCCC2- InChIKey
GGRIFTGOVLLWFG-UHFFFAOYSA-N- Molecular formula
- C11H19N3S
- Average molar mass
- 225.36 g/mol
Names & identifiers
- Preferred name
- N-ethyl-2,3-diaza-spiro[4.4]non-3-ene-2-carboximidothioic acid methyl ester
- IUPAC
- methyl N-ethyl-2,3-diazaspiro[4.4]non-3-ene-2-carboximidothioate
Names & synonyms
SCHEMBL2310635SCHEMBL2310638SCHEMBL6884672GGRIFTGOVLLWFG-UHFFFAOYSA-NN-ethyl-2,3-diaza-spiro[4.4]non-3-ene-2-carboximidothioic acid methyl ester
Database identifiers
- PubChem CID
- 53354231
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 280
Related reactions
4 records
Compound notes
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